The average structure is based on superposition of 17 converged structures after refinement. The average RMS deviation between the ensemble and the average structure is 1.9 Angstrom. A total of 268 NOE derived distance constraints, 171 dihedral restraints and 49 distance restraints from hydrogen bonds were used for refinement

NMR Ensemble Information

Conformers Submitted Total Number

1

Representative Model Choice Rationale

1

minimized average structure

Additional NMR Experimental Information

1

This structure was determined using standard 2D homonuclear techniques as well as 13C and 31P heteronuclear experiments at natural isotope abundance